I'm running DRFP on the 30K reactions from Rhea and it takes about 20 minutes on my 2019 macbook pro on a single core. It would be great to add some simple parallelization arguments to DrfpEncoder.encode to speed this up linearly with the number of cores (minus some small overhead)
I'm running DRFP on the 30K reactions from Rhea and it takes about 20 minutes on my 2019 macbook pro on a single core. It would be great to add some simple parallelization arguments to
DrfpEncoder.encodeto speed this up linearly with the number of cores (minus some small overhead)